分析物名称

Bleomycin Acid

CAS登记号

37364-66-2

分子式

C50 H72 N16 O22 S2

分子量

1313.331

精确质量测定

1312.445

SMILES

C[C@@H](O)C(NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@@H](CC(=O)N)NC[C@@H](N)C(=O)N)C(O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@H]3OC(CO)[C@@H](O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)O

InChI

InChI=1S/C50H72N16O22S2/c1-15-28(63-41(66-39(15)53)20(7-26(52)70)58-8-19(51)40(54)76)44(79)65-30(36(21-9-56-14-59-21)86-49-38(34(74)32(72)24(10-67)85-49)87-48-35(75)37(88-50(55)83)33(73)25(11-68)84-48)45(80)60-17(3)31(71)16(2)42(77)64-29(18(4)69)43(78)57-6-5-27-61-22(12-89-27)46-62-23(13-90-46)47(81)82/h9,12-14,16-20,24-25,29-38,48-49,58,67-69,71-75H,5-8,10-11,51H2,1-4H3,(H2,52,70)(H2,54,76)(H2,55,83)(H,56,59)(H,57,78)(H,60,80)(H,64,77)(H,65,79)(H,81,82)(H2,53,63,66)/t16-,17+,18+,19+,20+,24?,25?,29?,30-,31-,32-,33+,34?,35?,36?,37?,38?,48+,49-/m0/s1

IUPAC

2-[2-[2-[[(3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1R)-3-amino-1-[[(2R)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,5R)-3-[(2R,5R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid

运输温度

Room Temperature

原产国

CANADA

产品类型

Impurity

产品形式

Neat